# generated using pymatgen data_CaMg149 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.89036865 _cell_length_b 15.89037406 _cell_length_c 15.47049391 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001127 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg149 _chemical_formula_sum 'Ca1 Mg149' _cell_volume 3383.00667606 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.00000000 0.00000000 0.00000000 1.0 Mg Mg1 1 0.60007497 0.20014994 0.00000000 1.0 Mg Mg2 1 0.40167434 0.20083717 0.00000000 1.0 Mg Mg3 1 0.79916283 0.20083717 0.00000000 1.0 Mg Mg4 1 0.00162426 0.20628892 0.00000000 1.0 Mg Mg5 1 0.20466465 0.20628892 0.00000000 1.0 Mg Mg6 1 0.60007497 0.39992503 0.00000000 1.0 Mg Mg7 1 0.79985006 0.39992503 0.00000000 1.0 Mg Mg8 1 0.00049837 0.40159739 0.00000000 1.0 Mg Mg9 1 0.40110003 0.40159839 0.00000000 1.0 Mg Mg10 1 0.20117482 0.40234963 0.00000000 1.0 Mg Mg11 1 0.79916283 0.59832566 0.00000000 1.0 Mg Mg12 1 0.00049837 0.59889997 0.00000000 1.0 Mg Mg13 1 0.59840261 0.59890097 0.00000000 1.0 Mg Mg14 1 0.20070913 0.60035407 0.00000000 1.0 Mg Mg15 1 0.39964593 0.60035507 0.00000000 1.0 Mg Mg16 1 0.79371108 0.79533535 0.00000000 1.0 Mg Mg17 1 0.00162426 0.79533535 0.00000000 1.0 Mg Mg18 1 0.59765037 0.79882518 0.00000000 1.0 Mg Mg19 1 0.20117482 0.79882518 0.00000000 1.0 Mg Mg20 1 0.39964593 0.79929087 0.00000000 1.0 Mg Mg21 1 0.79371108 0.99837474 0.00000000 1.0 Mg Mg22 1 0.20466465 0.99837574 0.00000000 1.0 Mg Mg23 1 0.40110003 0.99950163 0.00000000 1.0 Mg Mg24 1 0.59840261 0.99950163 0.00000000 1.0 Mg Mg25 1 0.26428871 0.13214436 0.16597568 1.0 Mg Mg26 1 0.86785564 0.13214436 0.16597568 1.0 Mg Mg27 1 0.86785564 0.73571129 0.16597568 1.0 Mg Mg28 1 0.66666600 0.33333300 0.16658933 1.0 Mg Mg29 1 0.46651247 0.13325570 0.16656680 1.0 Mg Mg30 1 0.66674323 0.13325570 0.16656680 1.0 Mg Mg31 1 0.46651247 0.33325677 0.16656680 1.0 Mg Mg32 1 0.86674430 0.33325677 0.16656680 1.0 Mg Mg33 1 0.66674323 0.53348753 0.16656680 1.0 Mg Mg34 1 0.86674430 0.53348753 0.16656680 1.0 Mg Mg35 1 0.06666825 0.53333413 0.16675994 1.0 Mg Mg36 1 0.46666587 0.53333413 0.16675994 1.0 Mg Mg37 1 0.46666587 0.93333175 0.16675994 1.0 Mg Mg38 1 0.26681523 0.53363046 0.16674270 1.0 Mg Mg39 1 0.46637054 0.73318477 0.16674270 1.0 Mg Mg40 1 0.26681523 0.73318477 0.16674270 1.0 Mg Mg41 1 0.26817105 0.33555650 0.16773596 1.0 Mg Mg42 1 0.06738645 0.33555750 0.16773596 1.0 Mg Mg43 1 0.66444350 0.73182895 0.16773596 1.0 Mg Mg44 1 0.06738645 0.73182895 0.16773596 1.0 Mg Mg45 1 0.26817105 0.93261455 0.16773596 1.0 Mg Mg46 1 0.66444350 0.93261455 0.16773596 1.0 Mg Mg47 1 0.06897145 0.13794290 0.17023570 1.0 Mg Mg48 1 0.86205710 0.93102855 0.17023570 1.0 Mg Mg49 1 0.06897145 0.93102855 0.17023570 1.0 Mg Mg50 1 0.39989010 0.19994506 0.33376888 1.0 Mg Mg51 1 0.80005494 0.19994606 0.33376888 1.0 Mg Mg52 1 0.80005494 0.60010890 0.33376888 1.0 Mg Mg53 1 0.60005655 0.20011210 0.33378850 1.0 Mg Mg54 1 0.79988790 0.39994345 0.33378850 1.0 Mg Mg55 1 0.60005655 0.39994345 0.33378850 1.0 Mg Mg56 1 0.40022177 0.00005804 0.33388419 1.0 Mg Mg57 1 0.59983527 0.00005804 0.33388419 1.0 Mg Mg58 1 0.40022177 0.40016473 0.33388419 1.0 Mg Mg59 1 0.99994196 0.40016473 0.33388419 1.0 Mg Mg60 1 0.99994196 0.59977723 0.33388419 1.0 Mg Mg61 1 0.59983527 0.59977723 0.33388419 1.0 Mg Mg62 1 0.20004967 0.60002433 0.33384044 1.0 Mg Mg63 1 0.39997467 0.60002433 0.33384044 1.0 Mg Mg64 1 0.39997467 0.79995033 0.33384044 1.0 Mg Mg65 1 0.20004742 0.40009484 0.33393105 1.0 Mg Mg66 1 0.59990616 0.79995258 0.33393105 1.0 Mg Mg67 1 0.20004742 0.79995258 0.33393105 1.0 Mg Mg68 1 0.79961631 0.00007392 0.33401984 1.0 Mg Mg69 1 0.20045861 0.00007492 0.33401984 1.0 Mg Mg70 1 0.99992508 0.20038369 0.33401984 1.0 Mg Mg71 1 0.20045861 0.20038469 0.33401984 1.0 Mg Mg72 1 0.99992508 0.79954139 0.33401984 1.0 Mg Mg73 1 0.79961631 0.79954139 0.33401984 1.0 Mg Mg74 1 0.00000000 0.00000000 0.33384874 1.0 Mg Mg75 1 0.06667354 0.13334808 0.50000000 1.0 Mg Mg76 1 0.86670061 0.13329839 0.50000000 1.0 Mg Mg77 1 0.26659780 0.13329839 0.50000000 1.0 Mg Mg78 1 0.46670929 0.13345217 0.50000000 1.0 Mg Mg79 1 0.66674288 0.13345217 0.50000000 1.0 Mg Mg80 1 0.46670929 0.33325712 0.50000000 1.0 Mg Mg81 1 0.86654783 0.33325712 0.50000000 1.0 Mg Mg82 1 0.66666600 0.33333300 0.50000000 1.0 Mg Mg83 1 0.26665487 0.33337658 0.50000000 1.0 Mg Mg84 1 0.06672171 0.33337658 0.50000000 1.0 Mg Mg85 1 0.86654783 0.53329071 0.50000000 1.0 Mg Mg86 1 0.66674288 0.53329071 0.50000000 1.0 Mg Mg87 1 0.06658657 0.53329279 0.50000000 1.0 Mg Mg88 1 0.46670621 0.53329279 0.50000000 1.0 Mg Mg89 1 0.26667264 0.53334629 0.50000000 1.0 Mg Mg90 1 0.86670061 0.73340220 0.50000000 1.0 Mg Mg91 1 0.66662442 0.73334413 0.50000000 1.0 Mg Mg92 1 0.06672171 0.73334513 0.50000000 1.0 Mg Mg93 1 0.46665371 0.73332636 0.50000000 1.0 Mg Mg94 1 0.26667264 0.73332736 0.50000000 1.0 Mg Mg95 1 0.26665487 0.93327929 0.50000000 1.0 Mg Mg96 1 0.66662442 0.93327929 0.50000000 1.0 Mg Mg97 1 0.86665192 0.93332546 0.50000000 1.0 Mg Mg98 1 0.06667354 0.93332646 0.50000000 1.0 Mg Mg99 1 0.46670621 0.93341343 0.50000000 1.0 Mg Mg100 1 0.00000000 0.00000000 0.66615126 1.0 Mg Mg101 1 0.79961631 0.00007392 0.66598016 1.0 Mg Mg102 1 0.20045861 0.00007492 0.66598016 1.0 Mg Mg103 1 0.99992508 0.20038369 0.66598016 1.0 Mg Mg104 1 0.20045861 0.20038469 0.66598016 1.0 Mg Mg105 1 0.99992508 0.79954139 0.66598016 1.0 Mg Mg106 1 0.79961631 0.79954139 0.66598016 1.0 Mg Mg107 1 0.20004742 0.40009484 0.66606895 1.0 Mg Mg108 1 0.59990616 0.79995258 0.66606895 1.0 Mg Mg109 1 0.20004742 0.79995258 0.66606895 1.0 Mg Mg110 1 0.20004967 0.60002433 0.66615956 1.0 Mg Mg111 1 0.39997467 0.60002433 0.66615956 1.0 Mg Mg112 1 0.39997467 0.79995033 0.66615956 1.0 Mg Mg113 1 0.40022177 0.00005804 0.66611581 1.0 Mg Mg114 1 0.59983527 0.00005804 0.66611581 1.0 Mg Mg115 1 0.40022177 0.40016473 0.66611581 1.0 Mg Mg116 1 0.99994196 0.40016473 0.66611581 1.0 Mg Mg117 1 0.99994196 0.59977723 0.66611581 1.0 Mg Mg118 1 0.59983527 0.59977723 0.66611581 1.0 Mg Mg119 1 0.60005655 0.20011210 0.66621150 1.0 Mg Mg120 1 0.79988790 0.39994345 0.66621150 1.0 Mg Mg121 1 0.60005655 0.39994345 0.66621150 1.0 Mg Mg122 1 0.39989010 0.19994506 0.66623012 1.0 Mg Mg123 1 0.80005494 0.19994606 0.66623012 1.0 Mg Mg124 1 0.80005494 0.60010890 0.66623012 1.0 Mg Mg125 1 0.06897145 0.13794290 0.82976430 1.0 Mg Mg126 1 0.86205710 0.93102855 0.82976430 1.0 Mg Mg127 1 0.06897145 0.93102855 0.82976430 1.0 Mg Mg128 1 0.26817105 0.33555650 0.83226404 1.0 Mg Mg129 1 0.06738645 0.33555750 0.83226404 1.0 Mg Mg130 1 0.66444350 0.73182895 0.83226404 1.0 Mg Mg131 1 0.06738645 0.73182895 0.83226404 1.0 Mg Mg132 1 0.26817105 0.93261455 0.83226404 1.0 Mg Mg133 1 0.66444350 0.93261455 0.83226404 1.0 Mg Mg134 1 0.26681523 0.53363046 0.83325730 1.0 Mg Mg135 1 0.46637054 0.73318477 0.83325730 1.0 Mg Mg136 1 0.26681523 0.73318477 0.83325730 1.0 Mg Mg137 1 0.06666825 0.53333413 0.83324006 1.0 Mg Mg138 1 0.46666587 0.53333413 0.83324006 1.0 Mg Mg139 1 0.46666587 0.93333175 0.83324006 1.0 Mg Mg140 1 0.46651247 0.13325570 0.83343420 1.0 Mg Mg141 1 0.66674323 0.13325570 0.83343420 1.0 Mg Mg142 1 0.46651247 0.33325677 0.83343420 1.0 Mg Mg143 1 0.86674430 0.33325677 0.83343420 1.0 Mg Mg144 1 0.66674323 0.53348753 0.83343420 1.0 Mg Mg145 1 0.86674430 0.53348753 0.83343420 1.0 Mg Mg146 1 0.66666600 0.33333300 0.83341067 1.0 Mg Mg147 1 0.26428871 0.13214436 0.83402432 1.0 Mg Mg148 1 0.86785564 0.13214436 0.83402432 1.0 Mg Mg149 1 0.86785564 0.73571129 0.83402432 1.0